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78 lines
2.5 KiB
Fortran
78 lines
2.5 KiB
Fortran
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subroutine dress_slave
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implicit none
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BEGIN_DOC
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! Helper subroutine to compute the dress in distributed mode.
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END_DOC
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read_wf = .False.
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distributed_davidson = .False.
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threshold_generators = 1d0
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SOFT_TOUCH read_wf distributed_davidson threshold_generators
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call provide_everything
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call switch_qp_run_to_master
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call run_wf
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end
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subroutine provide_everything
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PROVIDE H_apply_buffer_allocated mo_two_e_integrals_in_map psi_det_generators psi_coef_generators psi_det_sorted_bit psi_selectors n_det_generators n_states generators_bitmask zmq_context
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end
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subroutine run_wf
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use f77_zmq
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implicit none
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integer(ZMQ_PTR), external :: new_zmq_to_qp_run_socket
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integer(ZMQ_PTR) :: zmq_to_qp_run_socket
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double precision :: energy(N_states_diag)
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character*(64) :: states(1)
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integer :: rc, i
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integer, external :: zmq_get_dvector, zmq_get_N_det_generators
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integer, external :: zmq_get_psi, zmq_get_N_det_selectors
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integer, external :: zmq_get_N_states_diag
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double precision :: tmp
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call provide_everything
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zmq_context = f77_zmq_ctx_new ()
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states(1) = 'dress'
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zmq_to_qp_run_socket = new_zmq_to_qp_run_socket()
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do
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call wait_for_states(states,zmq_state,1)
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if(zmq_state(:7) == 'Stopped') then
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exit
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else if (zmq_state(:5) == 'dress') then
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! Dress
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! ---------
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if (zmq_get_psi(zmq_to_qp_run_socket,1) == -1) cycle
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if (zmq_get_N_det_generators (zmq_to_qp_run_socket, 1) == -1) cycle
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if (zmq_get_N_det_selectors(zmq_to_qp_run_socket, 1) == -1) cycle
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if (zmq_get_dvector(zmq_to_qp_run_socket,1,'state_average_weight',state_average_weight,N_states) == -1) cycle
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if (zmq_get_dvector(zmq_to_qp_run_socket,1,'energy',energy,N_states) == -1) cycle
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if (zmq_get_dvector(zmq_to_qp_run_socket,1,'dress_stoch_istate',tmp,1) == -1) cycle
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dress_stoch_istate = int(tmp)
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psi_energy(1:N_states) = energy(1:N_states)
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TOUCH psi_energy dress_stoch_istate state_average_weight
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PROVIDE psi_bilinear_matrix_columns_loc psi_det_alpha_unique psi_det_beta_unique
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PROVIDE psi_bilinear_matrix_rows psi_det_sorted_gen_order psi_bilinear_matrix_order
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PROVIDE psi_bilinear_matrix_transp_rows_loc psi_bilinear_matrix_transp_columns
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PROVIDE psi_bilinear_matrix_transp_order
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call dress_slave_tcp(0, energy)
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endif
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end do
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end
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subroutine dress_slave_tcp(i,energy)
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implicit none
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double precision, intent(in) :: energy(N_states_diag)
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integer, intent(in) :: i
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call run_dress_slave(0,i,energy)
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end
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